methyl 2-[2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C30H25N3O3S2 MolecularWeight: 539.6678

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C#N

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C30H25N3O3S2/c1-36-30(35)27-21-14-8-9-15-25(21)38-29(27)33-26(34)18-37-28-23(17-31)22(19-10-4-2-5-11-19)16-24(32-28)20-12-6-3-7-13-20/h2-7,10-13,16H,8-9,14-15,18H2,1H3,(H,33,34)